N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C14H19N3O — CID 55177864

IUPACN-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCOc1cccc(-c2ncc(CNC(C)C)[nH]2)c1
InChIInChI=1S/C14H19N3O/c1-10(2)15-8-12-9-16-14(17-12)11-5-4-6-13(7-11)18-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyOWNIECBMUWJWJE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds5

About N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 55177864) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID55177864
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCOc1cccc(-c2ncc(CNC(C)C)[nH]2)c1
InChIInChI=1S/C14H19N3O/c1-10(2)15-8-12-9-16-14(17-12)11-5-4-6-13(7-11)18-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyOWNIECBMUWJWJE-UHFFFAOYSA-N
XLogP2.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109227
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109316
N-[[2-(3-bromo-4-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 113337362
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63109605
N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 106849877
1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 63108684
N-[[2-(2-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109203
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 63108691

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 55177864) is N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine is COc1cccc(-c2ncc(CNC(C)C)[nH]2)c1.
What is the InChIKey of N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is OWNIECBMUWJWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)15-8-12-9-16-14(17-12)11-5-4-6-13(7-11)18-3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55177864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).